3-chloro-N-(2-chloroethyl)propan-1-amine

Base Information

• Chemical Name: 3-chloro-N-(2-chloroethyl)propan-1-amine
• CAS No.: 42453-19-0
• Molecular Formula: C₅H₁₁Cl₂N
• Molecular Weight: 156.055
• UNII: Z8DZ5K6NPQ
• Mol file: 42453-19-0.mol

Synonyms:Ifosfamide Impurity E;42453-19-0;(2-chloroethyl)(3-chloropropyl)amine;3-chloro-N-(2-chloroethyl)propan-1-amine;Z8DZ5K6NPQ;3-Chloro-N-(2-chloroethyl)-1-propanamine;1-Propanamine, 3-chloro-N-(2-chloroethyl)-;UNII-Z8DZ5K6NPQ;Ifosfamide impurity E [EP];SCHEMBL3207850;2-chloroethyl-3-chloropropylamine;PRXKFOYOKSXOGO-UHFFFAOYSA-N;AKOS006240516;IFOSFAMIDE IMPURITY E [EP IMPURITY];EN300-145432

Chemical Property of 3-chloro-N-(2-chloroethyl)propan-1-amine

Chemical Property:

• Boiling Point: 218.1±25.0 °C(Predicted)
• PKA: 8.15±0.19(Predicted)
• Density: 1.093±0.06 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 155.0268547
• Heavy Atom Count: 8
• Complexity: 41.4

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CNCCCl)CCl

Technology Process of 3-chloro-N-(2-chloroethyl)propan-1-amine

There total 3 articles about 3-chloro-N-(2-chloroethyl)propan-1-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 38.0%

N-2-hydroxyethyl-2-oxazinone (1025947-37-8) → N-<2-Chlor-ethyl>-3-chlor-propylamin (42453-19-0) + N-3-chloropropyl-2-hydroxyethylamine hydrochloride

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 78 ℃; for 10h;

Reference yield:

3-[(2-hydroxyethyl)amino]propanol (19344-29-7) → N-<2-Chlor-ethyl>-3-chlor-propylamin (42453-19-0)

Guidance literature:

With thionyl chloride;

DOI:10.1248/cpb.10.390

Reference yield:

→ N-<2-Chlor-ethyl>-3-chlor-propylamin (42453-19-0)

Guidance literature:

<2-Hydroxy-ethyl>-<3-hydroxy-propyl>-amin in Benzol u. SOCl2;

upstream raw materials:

3-[(2-hydroxyethyl)amino]propanol

N-2-hydroxyethyl-2-oxazinone